(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate

C15H27NO3 — CID 141336457

IUPAC(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-7-9-18-16-14(3,4)10-12(11-15(16,5)6)19-13(17)8-2/h8,12H,2,7,9-11H2,1,3-6H3
InChIKeyBRTODNPSJGAEAW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.08
Rot. Bonds5

About (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate

(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate (PubChem CID 141336457) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
PubChem CID141336457
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-7-9-18-16-14(3,4)10-12(11-15(16,5)6)19-13(17)8-2/h8,12H,2,7,9-11H2,1,3-6H3
InChIKeyBRTODNPSJGAEAW-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,2,4,6,6-pentamethyl-1-nonoxypiperidin-3-yl) prop-2-enoate
CID 141336453
2-methylprop-2-enoyl chloride;2,2,6,6-tetramethyl-1-propoxypiperidin-4-ol;(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-methylprop-2-enoate
CID 158484355
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-hydroxy-2-methyloctadecanoate
CID 67544387
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
CID 173111319
methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
CID 54179873
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate?
The IUPAC name of (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate (CID 141336457) is (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate is C=CC(=O)OC1CC(C)(C)N(OCCC)C(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate?
The InChIKey is BRTODNPSJGAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-9-18-16-14(3,4)10-12(11-15(16,5)6)19-13(17)8-2/h8,12H,2,7,9-11H2,1,3-6H3.
What are the key properties of (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate?
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate has a molecular weight of 269.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 141336457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).